| SpectraBase Spectrum ID |
4sKrAE8xHo7 |
| Name |
(E)-4-Isopropylcinnamaldehyde; 2-propenal, 3-[4-(1-methylethyl)phenyl]-, (E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
174.104465070 u |
| Formula |
C12H14O |
| InChI |
InChI=1S/C12H14O/c1-10(2)12-7-5-11(6-8-12)4-3-9-13/h3-10H,1-2H3/b4-3+ |
| InChIKey |
MHGRIUPTPRZPJP-ONEGZZNKSA-N |
| Molecular Weight |
174.243 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(C)C)\C=C\C=O |
| Spectrum/Structure Validation Score (Raman) |
0.939875 |
